4-[2-(2,4-dimethylphenoxy)acetyl]-3,3-dimethylpiperazin-2-one

C16H22N2O3 — CID 63362376

IUPAC4-[2-(2,4-dimethylphenoxy)acetyl]-3,3-dimethylpiperazin-2-one
SMILESCc1ccc(OCC(=O)N2CCNC(=O)C2(C)C)c(C)c1
InChIInChI=1S/C16H22N2O3/c1-11-5-6-13(12(2)9-11)21-10-14(19)18-8-7-17-15(20)16(18,3)4/h5-6,9H,7-8,10H2,1-4H3,(H,17,20)
InChIKeyHYWXIGKDSINKCF-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.42
Rot. Bonds3

About 4-[2-(2,4-dimethylphenoxy)acetyl]-3,3-dimethylpiperazin-2-one

4-[2-(2,4-dimethylphenoxy)acetyl]-3,3-dimethylpiperazin-2-one (PubChem CID 63362376) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 4-[2-(2,4-dimethylphenoxy)acetyl]-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-(2,4-dimethylphenoxy)acetyl]-3,3-dimethylpiperazin-2-one
PubChem CID63362376
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name4-[2-(2,4-dimethylphenoxy)acetyl]-3,3-dimethylpiperazin-2-one
SMILESCc1ccc(OCC(=O)N2CCNC(=O)C2(C)C)c(C)c1
InChIInChI=1S/C16H22N2O3/c1-11-5-6-13(12(2)9-11)21-10-14(19)18-8-7-17-15(20)16(18,3)4/h5-6,9H,7-8,10H2,1-4H3,(H,17,20)
InChIKeyHYWXIGKDSINKCF-UHFFFAOYSA-N
XLogP1.42
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]-3,3-dimethylpiperazin-2-one
CID 126809780
4-[2-(2-methoxyphenoxy)acetyl]-3,3-dimethylpiperazin-2-one
CID 63362344
4-(2,4-dimethylbenzoyl)-3,3-dimethylpiperazin-2-one
CID 63362304
4-(2-methoxy-5-methylbenzoyl)-3,3-dimethylpiperazin-2-one
CID 63608428
4-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-oxoethoxy]benzonitrile
CID 63362385
2-(2,4-dimethylphenoxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 17217256
2-(2,4-dimethylphenoxy)-1-(2-methylpiperazin-1-yl)ethanone
CID 119472369
3-(2,2-dimethyl-3-oxopiperazin-1-yl)-3-oxopropanoic acid
CID 63600580
4-(3,4-dimethylhexanoyl)-3,3-dimethylpiperazin-2-one
CID 23790775
3,3-dimethyl-4-(2-piperidin-4-yloxyacetyl)piperazin-2-one
CID 63875734
1-[4-[2-(2,4-dimethylphenoxy)acetyl]piperazin-1-yl]-3-methylbutan-1-one
CID 108533811
2-(2,4-dimethylphenoxy)-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 60956652

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,4-dimethylphenoxy)acetyl]-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-[2-(2,4-dimethylphenoxy)acetyl]-3,3-dimethylpiperazin-2-one (CID 63362376) is 4-[2-(2,4-dimethylphenoxy)acetyl]-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-[2-(2,4-dimethylphenoxy)acetyl]-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-[2-(2,4-dimethylphenoxy)acetyl]-3,3-dimethylpiperazin-2-one is Cc1ccc(OCC(=O)N2CCNC(=O)C2(C)C)c(C)c1.
What is the InChIKey of 4-[2-(2,4-dimethylphenoxy)acetyl]-3,3-dimethylpiperazin-2-one?
The InChIKey is HYWXIGKDSINKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11-5-6-13(12(2)9-11)21-10-14(19)18-8-7-17-15(20)16(18,3)4/h5-6,9H,7-8,10H2,1-4H3,(H,17,20).
What are the key properties of 4-[2-(2,4-dimethylphenoxy)acetyl]-3,3-dimethylpiperazin-2-one?
4-[2-(2,4-dimethylphenoxy)acetyl]-3,3-dimethylpiperazin-2-one has a molecular weight of 290.36 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,4-dimethylphenoxy)acetyl]-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 63362376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).